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13235-12-6 | 3-Quinolinol, 4-bromo-2-methyl-
CAS No: 13235-12-6 Catalog No: AG0010KV MDL No:MFCD14584780
Product Description
Catalog Number:
AG0010KV
Chemical Name:
3-Quinolinol, 4-bromo-2-methyl-
CAS Number:
13235-12-6
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD14584780
IUPAC Name:
4-bromo-2-methylquinolin-3-ol
InChI:
InChI=1S/C10H8BrNO/c1-6-10(13)9(11)7-4-2-3-5-8(7)12-6/h2-5,13H,1H3
InChI Key:
KJLMRQHMWOMEST-UHFFFAOYSA-N
SMILES:
Oc1c(C)nc2c(c1Br)cccc2
EC Number:
236-208-5
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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